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2BXU
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BU of 2bxu by Molmil
Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker
Descriptor: 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN
Authors:Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A.
Deposit date:2005-07-27
Release date:2006-10-26
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
2BLZ
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BU of 2blz by Molmil
RNAse after a high dose X-ray "burn"
Descriptor: CHLORIDE ION, RIBONUCLEASE PANCREATIC
Authors:Nanao, M.H, Ravelli, R.B.
Deposit date:2005-03-08
Release date:2005-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
2BLH
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BU of 2blh by Molmil
Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nienhaus, K, Ostermann, A, Nienhaus, G.U, Parak, F.G, Schmidt, M.
Deposit date:2005-03-04
Release date:2005-04-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W
Biochemistry, 44, 2005
2BYL
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BU of 2byl by Molmil
Structure of ornithine aminotransferase triple mutant Y85I Y55A G320F
Descriptor: ORNITHINE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Markova, M, Peneff, C, Hewlins, M.J.E, Schirmer, T, John, R.A.
Deposit date:2005-08-03
Release date:2005-09-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Determinants of Substrate Specificity in Omega-Aminotransferases.
J.Biol.Chem., 280, 2005
2CII
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BU of 2cii by Molmil
The crystal structure of H-2Db complexed with a partial peptide epitope suggests an MHC Class I assembly-intermediate
Descriptor: BETA-2-MICROGLOBULIN, GLYCEROL, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN D-B ALPHA CHAIN, ...
Authors:Glithero, A, Tormo, J, Doering, K, Kojima, M, Jones, E.Y, Elliott, T.
Deposit date:2006-03-21
Release date:2006-03-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of H-2D(b) complexed with a partial peptide epitope suggests a major histocompatibility complex class I assembly intermediate.
J. Biol. Chem., 281, 2006
2C9S
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BU of 2c9s by Molmil
1.24 Angstroms resolution structure of Zn-Zn Human Superoxide dismutase
Descriptor: ACETATE ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ...
Authors:Strange, R.W, Antonyuk, S.V, Hough, M.A, Doucette, P.A, Valentine S, J.S, Hasnain, S.
Deposit date:2005-12-14
Release date:2005-12-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Variable Metallation of Human Superoxide Dismutase: Atomic Resolution Crystal Structures of Cu-Zn, Zn-Zn and as-Isolated Wild-Type Enzymes.
J.Mol.Biol., 356, 2006
2C7C
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BU of 2c7c by Molmil
FITTED COORDINATES FOR GROEL-ATP7-GROES CRYO-EM COMPLEX (EMD-1180)
Descriptor: 10 KDA CHAPERONIN MOLECULE: GROES, PROTEIN CPN10, GROES PROTEIN, ...
Authors:Ranson, N.A, Clare, D.K, Farr, G.W, Houldershaw, D, Horwich, A.L, Saibil, H.R.
Deposit date:2005-11-22
Release date:2006-01-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Allosteric Signalling of ATP Hydrolysis in Groel-Groes Complexes.
Nat.Struct.Mol.Biol., 13, 2006
2E6W
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BU of 2e6w by Molmil
Solution structure and calcium binding properties of EF-hands 3 and 4 of calsenilin
Descriptor: CALCIUM ION, Calsenilin
Authors:Yu, L, Sun, C, Mendoza, R, Hebert, E, Pereda-Lopez, A, Hajduk, P.J, Olejniczak, E.T.
Deposit date:2007-01-05
Release date:2007-11-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and calcium-binding properties of EF-hands 3 and 4 of calsenilin.
Protein Sci., 16, 2007
2E85
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BU of 2e85 by Molmil
Crystal Structure of the Hydrogenase 3 Maturation protease
Descriptor: CALCIUM ION, Hydrogenase 3 maturation protease
Authors:Tanaka, T, Kumarevel, T.S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-18
Release date:2008-01-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of hydrogenase maturating endopeptidase HycI from Escherichia coli
Biochem.Biophys.Res.Commun., 389, 2009
2AMN
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BU of 2amn by Molmil
Solution structure of Fowlicidin-1, a novel Cathelicidin antimicrobial peptide from chicken
Descriptor: cathelicidin
Authors:Xiao, Y, Dai, H, Bommineni, Y.R, Prakash, O, Zhang, G.
Deposit date:2005-08-09
Release date:2006-07-18
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
2BH4
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BU of 2bh4 by Molmil
X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 100 K.
Descriptor: CYTOCHROME C-550, HEME C
Authors:Worrall, J.A.R, Van Roon, A.-M.M, Ubbink, M, Canters, G.W.
Deposit date:2005-01-07
Release date:2005-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding.
FEBS J., 272, 2005
2BF6
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BU of 2bf6 by Molmil
Atomic Resolution Structure of the bacterial sialidase NanI from Clostridium perfringens in complex with alpha-Sialic Acid (Neu5Ac).
Descriptor: CALCIUM ION, EXO-ALPHA-SIALIDASE, GLYCEROL, ...
Authors:Newstead, S, Taylor, G.L.
Deposit date:2004-12-04
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
2BLY
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BU of 2bly by Molmil
HEWL after a high dose x-ray "burn"
Descriptor: LYSOZYME C, TETRAETHYLENE GLYCOL
Authors:Nanao, M.H, Ravelli, R.B.
Deposit date:2005-03-08
Release date:2005-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
2BNK
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BU of 2bnk by Molmil
The structure of phage phi29 replication organizer protein p16.7
Descriptor: EARLY PROTEIN GP16.7
Authors:Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J.
Deposit date:2005-03-28
Release date:2005-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding.
J.Biol.Chem., 280, 2005
2BH5
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BU of 2bh5 by Molmil
X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 295 K.
Descriptor: CYTOCHROME C-550, HEME C
Authors:Worrall, J.A.R, van Roon, A.-M.M, Ubbink, M, Canters, G.W.
Deposit date:2005-01-07
Release date:2005-05-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding.
FEBS J., 272, 2005
2BF8
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BU of 2bf8 by Molmil
Crystal structure of SUMO modified ubiquitin conjugating enzyme E2- 25K
Descriptor: UBIQUITIN-CONJUGATING ENZYME E2-25 KDA, UBIQUITIN-LIKE PROTEIN SMT3C
Authors:Pichler, A, Knipscheer, P, Oberhofer, E, Van Dijk, W.J, Korner, R, Velgaard Olsen, J, Jentsch, S, Melchior, F, Sixma, T.K.
Deposit date:2004-12-06
Release date:2005-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sumo Imodification of the Ubiquitin Conjugating Enzyme E2-25K
Nat.Struct.Mol.Biol., 12, 2005
2AM1
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sp protein ligand 1
Descriptor: 2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE, GLYCEROL, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, ...
Authors:Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R.
Deposit date:2005-08-08
Release date:2006-01-24
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure
Protein Sci., 14, 2005
2AGH
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BU of 2agh by Molmil
Structural basis for cooperative transcription factor binding to the CBP coactivator
Descriptor: Crebbp protein, Myb proto-oncogene protein, Zinc finger protein HRX
Authors:De Guzman, R.N, Goto, N.K, Dyson, H.J, Wright, P.E.
Deposit date:2005-07-26
Release date:2005-11-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Basis for Cooperative Transcription Factor Binding to the CBP Coactivator
J.Mol.Biol., 355, 2006
2AM2
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BU of 2am2 by Molmil
sp protein ligand 2
Descriptor: 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, MurF protein
Authors:Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R.
Deposit date:2005-08-08
Release date:2006-01-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure
Protein Sci., 14, 2005
2E5C
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BU of 2e5c by Molmil
Crystal structure of Human NMPRTase complexed with 5'-phosphoribosyl-1'-pyrophosphate
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Nicotinamide phosphoribosyltransferase
Authors:Takahashi, R, Nakamura, S, Kobayashi, Y, Ohkubo, T.
Deposit date:2006-12-20
Release date:2007-12-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and reaction mechanism of human nicotinamide phosphoribosyltransferase
J.Biochem., 147, 2010
2E3H
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BU of 2e3h by Molmil
Crystal structure of the CLIP-170 CAP-Gly domain 2
Descriptor: Restin
Authors:Maesaki, R, Hakoshima, T.
Deposit date:2006-11-26
Release date:2007-08-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural basis for tubulin recognition by cytoplasmic linker protein 170 and its autoinhibition
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E0P
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BU of 2e0p by Molmil
The crystal structure of Cel44A
Descriptor: CALCIUM ION, CHLORIDE ION, Endoglucanase, ...
Authors:Kitago, Y, Karita, S, Watanabe, N, Sakka, K, Tanaka, I.
Deposit date:2006-10-11
Release date:2007-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Cel44A, a glycoside hydrolase family 44 endoglucanase from Clostridium thermocellum.
J.Biol.Chem., 282, 2007
2EO7
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BU of 2eo7 by Molmil
Crystal structure of Cel44A, GH family 44 endoglucanase from Clostridium thermocellum
Descriptor: CALCIUM ION, CHLORIDE ION, Endoglucanase, ...
Authors:Kitao, Y, Karita, S, Watanabe, N, Sakka, K, Tanaka, I.
Deposit date:2007-03-29
Release date:2007-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Cel44A, a glycoside hydrolase family 44 endoglucanase from Clostridium thermocellum.
J.Biol.Chem., 282, 2007
5H6V
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BU of 5h6v by Molmil
Structure of Zika virus protease in complex with a dipeptide inhibitor
Descriptor: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, Genome polyprotein
Authors:Zhang, Z, Chen, M.
Deposit date:2016-11-15
Release date:2017-06-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.422 Å)
Cite:Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors
Structure, 25, 2017
2B4J
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Structural basis for the recognition between HIV-1 integrase and LEDGF/p75
Descriptor: GLYCEROL, Integrase (IN), PC4 and SFRS1 interacting protein, ...
Authors:Cherepanov, P, Ambrosio, A.L, Rahman, S, Ellenberger, T, Engelman, A.
Deposit date:2005-09-24
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis for the recognition between HIV-1 integrase and transcriptional coactivator p75
Proc.Natl.Acad.Sci.Usa, 102, 2005

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